CID 2769618

918524-63-7

Structural Information

Molecular Formula
C16H26BN3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N3CCN(CC3)C
InChI
InChI=1S/C16H26BN3O2/c1-15(2)16(3,4)22-17(21-15)13-6-7-14(18-12-13)20-10-8-19(5)9-11-20/h6-7,12H,8-11H2,1-5H3
InChIKey
KVQXFNGVIIPCSX-UHFFFAOYSA-N
Compound name
1-methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

608
Patents

303.2118 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.21908 170.6
[M+Na]+ 326.20102 178.1
[M-H]- 302.20452 177.4
[M+NH4]+ 321.24562 184.8
[M+K]+ 342.17496 177.3
[M+H-H2O]+ 286.20906 161.5
[M+HCOO]- 348.21000 183.7
[M+CH3COO]- 362.22565 181.2
[M+Na-2H]- 324.18647 172.3
[M]+ 303.21125 169.7
[M]- 303.21235 169.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe